N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide

C22H23N5OS2 — CID 53198201

IUPACN-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1cccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5cccs5)CC4)nc32)c1
InChIInChI=1S/C22H23N5OS2/c1-14-5-3-6-17(13-14)27-20-19(15(2)25-27)30-22(24-20)26-10-8-16(9-11-26)23-21(28)18-7-4-12-29-18/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,28)
InChIKeyMOXSXIUSWPFEGM-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.56
Rot. Bonds4

About N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 53198201) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID53198201
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC NameN-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1cccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5cccs5)CC4)nc32)c1
InChIInChI=1S/C22H23N5OS2/c1-14-5-3-6-17(13-14)27-20-19(15(2)25-27)30-22(24-20)26-10-8-16(9-11-26)23-21(28)18-7-4-12-29-18/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,28)
InChIKeyMOXSXIUSWPFEGM-UHFFFAOYSA-N
XLogP4.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide (CID 53198201) is N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide is Cc1cccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5cccs5)CC4)nc32)c1.
What is the InChIKey of N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is MOXSXIUSWPFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-14-5-3-6-17(13-14)27-20-19(15(2)25-27)30-22(24-20)26-10-8-16(9-11-26)23-21(28)18-7-4-12-29-18/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,28).
What are the key properties of N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53198201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).